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3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one Structure

3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one

Chemical Properties

Melting point >252 °C (dec.) (lit.)
Density  1.4456 (rough estimate)
vapor pressure  0.001Pa at 20℃
refractive index  1.5650 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka pKa 4.90 (H2O t = 37 I = 0.15) (Uncertain)
form  Powder
color  White to Orange to Green
Water Solubility  5 g/L (20 ºC)
BRN  619424
InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
InChIKey CWJQQASJVVAXKL-UHFFFAOYSA-N
SMILES C1(S(O)(=O)=O)=CC=C(N2C(=O)CC(C)=N2)C=C1
LogP -2.04 at 23℃ and pH7
CAS DataBase Reference 89-36-1(CAS DataBase Reference)
EPA Substance Registry System Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (89-36-1)

Safety Information

Hazard Codes  C
Risk Statements  34
Safety Statements  26-36/37/39-45
RIDADR  UN 1759 8/PG 2
WGK Germany  1
TSCA  TSCA listed
HazardClass  8
PackingGroup  II
HS Code  29331990
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B

MSDS

Usage And Synthesis

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